2,2-diethoxy-N-[(R)-phenyl-(4-phenylphenyl)methyl]ethanamine

C25H29NO2 — CID 134962580

IUPAC2,2-diethoxy-N-[(R)-phenyl-(4-phenylphenyl)methyl]ethanamine
SMILESCCOC(CN[C@H](c1ccccc1)c1ccc(-c2ccccc2)cc1)OCC
InChIInChI=1S/C25H29NO2/c1-3-27-24(28-4-2)19-26-25(22-13-9-6-10-14-22)23-17-15-21(16-18-23)20-11-7-5-8-12-20/h5-18,24-26H,3-4,19H2,1-2H3/t25-/m1/s1
InChIKeyLOKQNVWAZSSOEI-RUZDIDTESA-N
MW375.51 g/mol
LogP5.43
Rot. Bonds10

About 2,2-diethoxy-N-[(R)-phenyl-(4-phenylphenyl)methyl]ethanamine

2,2-diethoxy-N-[(R)-phenyl-(4-phenylphenyl)methyl]ethanamine (PubChem CID 134962580) has the molecular formula C25H29NO2 and a molecular weight of 375.51 g/mol. Its IUPAC name is 2,2-diethoxy-N-[(R)-phenyl-(4-phenylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2,2-diethoxy-N-[(R)-phenyl-(4-phenylphenyl)methyl]ethanamine
PubChem CID134962580
Molecular FormulaC25H29NO2
Molecular Weight375.51 g/mol
Exact Mass375.22
IUPAC Name2,2-diethoxy-N-[(R)-phenyl-(4-phenylphenyl)methyl]ethanamine
SMILESCCOC(CN[C@H](c1ccccc1)c1ccc(-c2ccccc2)cc1)OCC
InChIInChI=1S/C25H29NO2/c1-3-27-24(28-4-2)19-26-25(22-13-9-6-10-14-22)23-17-15-21(16-18-23)20-11-7-5-8-12-20/h5-18,24-26H,3-4,19H2,1-2H3/t25-/m1/s1
InChIKeyLOKQNVWAZSSOEI-RUZDIDTESA-N
XLogP5.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.51
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(Benzylamino)acetaldehyde diethyl acetal
CID 521961
N-Tritylglycine ethyl ester
CID 262774
2,2-diethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 71521606
N-(1-Phenylcyclohexyl)-2-ethoxyethanamine
CID 46839345
[(2R)-2-(tritylamino)butyl] acetate
CID 57328128
Benzyl-(2,2-dimethoxy-1-methyl-ethyl)-amine
CID 12293011
(2,2-Diethoxyethyl)(1-phenylethyl)amine
CID 12077341
2,2-diethoxy-N-[(4-methylphenyl)methyl]ethanamine
CID 78910468
2,2-dimethoxy-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine
CID 89022522
2,2-diethoxy-N-[[4-(fluoromethyl)phenyl]methyl]ethanamine
CID 122496213
2-(diethoxymethyl)-5-fluoro-1-trityl-2H-pyridine
CID 141427845
1-[3-(Benzhydrylamino)-2-fluoropropoxy]ethanol
CID 175088879

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-N-[(R)-phenyl-(4-phenylphenyl)methyl]ethanamine?
The IUPAC name of 2,2-diethoxy-N-[(R)-phenyl-(4-phenylphenyl)methyl]ethanamine (CID 134962580) is 2,2-diethoxy-N-[(R)-phenyl-(4-phenylphenyl)methyl]ethanamine.
What is the SMILES notation for 2,2-diethoxy-N-[(R)-phenyl-(4-phenylphenyl)methyl]ethanamine?
The canonical SMILES for 2,2-diethoxy-N-[(R)-phenyl-(4-phenylphenyl)methyl]ethanamine is CCOC(CN[C@H](c1ccccc1)c1ccc(-c2ccccc2)cc1)OCC.
What is the InChIKey of 2,2-diethoxy-N-[(R)-phenyl-(4-phenylphenyl)methyl]ethanamine?
The InChIKey is LOKQNVWAZSSOEI-RUZDIDTESA-N. The full InChI is InChI=1S/C25H29NO2/c1-3-27-24(28-4-2)19-26-25(22-13-9-6-10-14-22)23-17-15-21(16-18-23)20-11-7-5-8-12-20/h5-18,24-26H,3-4,19H2,1-2H3/t25-/m1/s1.
What are the key properties of 2,2-diethoxy-N-[(R)-phenyl-(4-phenylphenyl)methyl]ethanamine?
2,2-diethoxy-N-[(R)-phenyl-(4-phenylphenyl)methyl]ethanamine has a molecular weight of 375.51 g/mol, XLogP of 5.43, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-N-[(R)-phenyl-(4-phenylphenyl)methyl]ethanamine is sourced from PubChem (CID 134962580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).